..Each of these frameworks has its advantages and disadvantages in terms of pre-requisites for applicability, throughput, and accuracy. Furthermore, the results from different methods may concur or conflict in parts...

..The complexity of the proposed solution is of the order of the input spectra. The efficacy and efficiency of the method was validated using experimental data derived from proteins with with diverse disulfide linkage patterns...

..This paper discusses the importance and applicability of disulfide-bond determination in understanding protein structure and function and provides a detailed review of computational approaches to this problem...

Quantification and clustering of phenotypic screening data using time-series analysis for chemotherapy of schistosomiasis

..Development of techniques for automated, high-throughput drug screening against these diseases, especially in whole-organism settings, constitutes one of the great challenges of modern drug discovery...

..However, most techniques for determining molecular similarity tend to focus on idealized 2D graph-based descriptors due to the complexity that accompanies reasoning with more elaborate representations...